4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
TL;DR: 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid (CAS 116274-71-6) is a chemical compound with molecular formula C17H15NO3S and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
Also Known As: 4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid, AN-829/37377003, 4-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepine-2-carboxylic acid, 4-(4-methoxyphenyl)-2H,3H-benzo[b]1,4-thiazepine-2-carboxylic acid, 4-(p-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
| Molecular Formula | C17H15NO3S |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 3.765 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.07727 |
| Heavy Atoms | 22 |
| Complexity | 724.93884 |
Chemical Identifiers
| CAS Number | 116274-71-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C(=O)O |
Product Overview
4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid (CAS 116274-71-6), with molecular formula C17H15NO3S and molecular weight 313.08 g/mol. IUPAC: 4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid.
Chemical Property Profile of 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
Property Insights of 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
The XLogP value of 3.765 indicates that 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.89 Ų, 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The CAS number of 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is 116274-71-6.
What is the molecular formula of 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The molecular formula of 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is C17H15NO3S.
What is the molecular weight of 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The molecular weight of 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is 313.08 g/mol.
Where can I buy 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
You can request a quote for 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.